SCHEMBL8430294

SCHEMBL8430294

COC(=O)/C(=C\c1ccc(/C=C(/NC(C)=O)C(=O)OC)cc1)NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 7/20 0.44
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8430296 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14032325 0.93 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL25669486 0.93 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11720751 0.93 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11720747 0.93 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL13906640 0.92 MEN1 (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8655219 0.92 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL8657420 0.92 MEN1 (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL27569641 0.92 HDAC3 (0.50) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8653650 0.92 KMT2A (0.46) MEN1KMT2AALDH1A1LMNAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958283-A1 NEW COMPOUNDS WITH HEMOREGULATING EFFECT Nycomed Austria GmbH (AT) 1999-11-24 EP disclosed
WO-1998032738-A1 NEW COMPOUNDS WITH HEMOREGULATING EFFECT NYCOMED AUSTRIA GMBH (AT) 1998-07-30 WO disclosed